SCHEMBL19994252

SCHEMBL19994252

O=C(Cn1cncn1)c1ccc(Oc2ccc(Br)cc2)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN9A Q15858 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19994255 0.91 SCN9A (0.38) LMNAPKMSMN1; SMN2PDE4DCYP1A2
SCHEMBL18529636 0.90 LMNA (0.44) LMNAPKMSMN1; SMN2PDE4DMAPT
SCHEMBL21678324 0.89 ALDH1A1 (0.36) LMNAPKMSMN1; SMN2PDE4DCYP1A2
SCHEMBL21678311 0.87 LMNA (0.36) LMNAPKMSMN1; SMN2PDE4DCYP1A2
SCHEMBL21678316 0.87 LMNA (0.34) LMNAPKMSMN1; SMN2PDE4DCYP1A2
SCHEMBL21678314 0.84 PDE4D (0.37) LMNAPKMSMN1; SMN2PDE4DCYP2C9
SCHEMBL21703559 0.84 PDE4D (0.35) LMNAPKMSMN1; SMN2PDE4DCYP1A2
SCHEMBL21703561 0.83 LMNA (0.33) LMNAPKMSMN1; SMN2PDE4DCYP1A2
SCHEMBL21633816 0.80 LMNA (0.40) LMNAPKMSMN1; SMN2PDE4DCYP1A2
SCHEMBL20537209 0.77 CYP3A4 (0.37) LMNACYP1A2CYP2C9CYP2C19CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 US disclosed
EP-3515907-A1 NOVEL TRIAZOLE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 EP disclosed
US-20190211002-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-11 US disclosed
WO-2018054832-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES CYP51A1, ERG28, SBK3 LMNA 4224/4885PKM 1224/4885SMN1; SMN2 4881/4885
US-20190211002-A1 NOVEL TRIAZOLE DERIVATIVES ERG28, CYP51A1, SBK3 LMNA 4316/4885PKM 1998/4885SMN1; SMN2 4875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.